7-[(4-butylphenyl)methyl-methylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[(4-butylphenyl)methyl-methylsulfonyl-amino]heptanoic acid Openeye Name: 7-[(4-butylphenyl)methyl-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[(4-butylphenyl)methyl-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[(4-butylphenyl)methyl-methylsulfonylamino]heptanoic acid Traditional Name: 7-[(4-butylbenzyl)-mesyl-amino]enanthic acid Formula: C19H31NO4S MolecularWeight: 369.51874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CCCCCCC(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CCCCCCC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C19H31NO4S/c1-3-4-9-17-11-13-18(14-12-17)16-20(25(2,23)24)15-8-6-5-7-10-19(21)22/h11-14H,3-10,15-16H2,1-2H3,(H,21,22)